Hello Vasyl-- > > I have 15 refined protein structures calculated by Rosetta. How to > calculate structure statistics for these structures, including > Impropers angles, using X-PLOR-NIH? >
You might work from eginput/gb1_rdc/analyze.py in the Xplor-NIH distribution. You will want to comment-out bits for terms you do not have. e.g. rdcs, distances, etc. Please let us know if you have problems with this. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
